Compound Detail
CHEMBL258939
NOTOPTEROL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL258939 |
| Name | NOTOPTEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKIACVAZUKISOR-MKMNVTDBSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.58
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.85 | 5.85 | 1422.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.58 | 4.58 | 26010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of GSK-3beta (unknown origin) | 36007469 |
| D(1A) dopamine receptor | Ki | = | 1422.0 | nM | 5.85 | Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed ... | 18166466 |
| Beta-secretase 1 | IC50 | = | 26010.0 | nM | 4.58 | Inhibition of BACE1 (unknown origin) | 36007469 |
| Beta-secretase 1 | IC50 | = | 26010.0 | nM | 4.58 | Inhibition of recombinant human BACE1 using fluorogenic polypeptide Mca-SEVNLDAE... | 36007469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36007469 | 10.1016/j.ejmech.2022.114689 | Beta-secretase 1 | 3 |
| 18166466 | 10.1016/j.bmc.2007.12.021 | D(1A) dopamine receptor | 2 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | Glycogen synthase kinase-3 beta | 2 |
| 18166466 | 10.1016/j.bmc.2007.12.021 | Mu-type opioid receptor | 1 |
| 18166466 | 10.1016/j.bmc.2007.12.021 | Delta-type opioid receptor | 1 |
| 18166466 | 10.1016/j.bmc.2007.12.021 | Kappa-type opioid receptor | 1 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | Acetylcholinesterase | 1 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | Cholinesterase | 1 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | HepG2 | 1 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | L02 | 1 |
| 36007469 | 10.1016/j.ejmech.2022.114689 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine